hard and soft pseudopotential
Posted: Thu Aug 24, 2006 9:50 pm
Does anybody know any difference in properties when
H and H_h pseudopotentials are used? I am not
finding any difference wrt to adsorbate frequencies when
H is adsorbed. Could be in studying reaction mechanism, it might have some effect like barrier height etc.
<span class='smallblacktext'>[ Edited ]</span>
H and H_h pseudopotentials are used? I am not
finding any difference wrt to adsorbate frequencies when
H is adsorbed. Could be in studying reaction mechanism, it might have some effect like barrier height etc.
<span class='smallblacktext'>[ Edited ]</span>